1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol

C10H13Cl2NO2 — CID 168636469

IUPAC1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol
SMILESCOc1ccc(Cl)c(NCC(O)CCl)c1
InChIInChI=1S/C10H13Cl2NO2/c1-15-8-2-3-9(12)10(4-8)13-6-7(14)5-11/h2-4,7,13-14H,5-6H2,1H3
InChIKeyBVKVPWUIGCLPBQ-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.36
Rot. Bonds5

About 1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol

1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol (PubChem CID 168636469) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is 1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol
PubChem CID168636469
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Name1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol
SMILESCOc1ccc(Cl)c(NCC(O)CCl)c1
InChIInChI=1S/C10H13Cl2NO2/c1-15-8-2-3-9(12)10(4-8)13-6-7(14)5-11/h2-4,7,13-14H,5-6H2,1H3
InChIKeyBVKVPWUIGCLPBQ-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-(2-fluoro-4-methoxyanilino)propan-2-ol
CID 168636517
1-chloro-3-[2-(difluoromethoxy)-5-methoxyanilino]propan-2-ol
CID 168639388
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide
CID 168637210
2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 107634665
1-chloro-3-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-methoxyanilino]propan-2-ol
CID 168640446
1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol
CID 114492958
methyl 2-[3-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenoxy]acetate
CID 168637947
1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431527
2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline
CID 65315824
2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 112588961
N-but-3-ynyl-2-chloro-5-methoxyaniline
CID 63655270
5-(2-chloro-5-methoxyanilino)pentanamide
CID 114281598

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol?
The IUPAC name of 1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol (CID 168636469) is 1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol is COc1ccc(Cl)c(NCC(O)CCl)c1.
What is the InChIKey of 1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol?
The InChIKey is BVKVPWUIGCLPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2/c1-15-8-2-3-9(12)10(4-8)13-6-7(14)5-11/h2-4,7,13-14H,5-6H2,1H3.
What are the key properties of 1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol?
1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol has a molecular weight of 250.12 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol is sourced from PubChem (CID 168636469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).